N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine

C16H19N — CID 129310419

IUPACN-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine
SMILESC=C/C=C\C/C(=C\C=C)NC1=CC=CC=CC1
InChIInChI=1S/C16H19N/c1-3-5-8-12-15(11-4-2)17-16-13-9-6-7-10-14-16/h3-11,13,17H,1-2,12,14H2/b8-5-,15-11+
InChIKeyABFCLCCCOGAXNN-JWSRNPNGSA-N
MW225.33 g/mol
LogP4.18
Rot. Bonds6

About N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine

N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 129310419) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine
PubChem CID129310419
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine
SMILESC=C/C=C\C/C(=C\C=C)NC1=CC=CC=CC1
InChIInChI=1S/C16H19N/c1-3-5-8-12-15(11-4-2)17-16-13-9-6-7-10-14-16/h3-11,13,17H,1-2,12,14H2/b8-5-,15-11+
InChIKeyABFCLCCCOGAXNN-JWSRNPNGSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine (CID 129310419) is N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine is C=C/C=C\C/C(=C\C=C)NC1=CC=CC=CC1.
What is the InChIKey of N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is ABFCLCCCOGAXNN-JWSRNPNGSA-N. The full InChI is InChI=1S/C16H19N/c1-3-5-8-12-15(11-4-2)17-16-13-9-6-7-10-14-16/h3-11,13,17H,1-2,12,14H2/b8-5-,15-11+.
What are the key properties of N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine?
N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 225.33 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,6Z)-nona-1,3,6,8-tetraen-4-yl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 129310419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).